N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C102H127F5N20O16S4 — CID 159200481

About N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 159200481) has the molecular formula C102H127F5N20O16S4 and a molecular weight of 2112.52 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 159200481
• Molecular Formula: C102H127F5N20O16S4
• Molecular Weight: 2112.52 g/mol
• Exact Mass: 2110.85
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CCC(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)CC1.CC1CN(c2ncc(-c3ccc(C(F)(F)F)cc3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(NCCCCNC(=O)OC(C)(C)C)n2)C(C)(C)C1.COc1cc(F)c(F)cc1-c1ccc(C(=O)NS(=O)(=O)c2cccnc2N)c(N2C[C@@H](C)CC2(C)C)n1
• InChI: InChI=1S/C27H40N6O5S.C25H26F3N5O3S.C25H27F2N5O4S.C25H34N4O4S/c1-19-17-27(5,6)33(18-19)23-20(11-10-16-29-23)24(34)32-39(36,37)22-13-9-12-21(31-22)28-14-7-8-15-30-25(35)38-26(2,3)4;1-15-12-24(2,3)33(14-15)22-19(23(34)32-37(35,36)21-6-4-5-20(29)31-21)11-17(13-30-22)16-7-9-18(10-8-16)25(26,27)28;1-14-12-25(2,3)32(13-14)23-15(24(33)31-37(34,35)21-6-5-9-29-22(21)28)7-8-19(30-23)16-10-17(26)18(27)11-20(16)36-4;1-17-10-12-19(13-11-17)33-21-8-5-9-22(27-21)34(31,32)28-24(30)20-7-6-14-26-23(20)29-16-18(2)15-25(29,3)4/h9-13,16,19H,7-8,14-15,17-18H2,1-6H3,(H,28,31)(H,30,35)(H,32,34);4-11,13,15H,12,14H2,1-3H3,(H2,29,31)(H,32,34);5-11,14H,12-13H2,1-4H3,(H2,28,29)(H,31,33);5-9,14,17-19H,10-13,15-16H2,1-4H3,(H,28,30)/t;;14-;/m..0./s1
• InChIKey: KPFIBWDLIXCTHD-WDTXHIPTSA-N
• XLogP: 16.36
• TPSA: 489.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2112.52
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 159200481) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCC(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)CC1.CC1CN(c2ncc(-c3ccc(C(F)(F)F)cc3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(NCCCCNC(=O)OC(C)(C)C)n2)C(C)(C)C1.COc1cc(F)c(F)cc1-c1ccc(C(=O)NS(=O)(=O)c2cccnc2N)c(N2C[C@@H](C)CC2(C)C)n1.

What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is KPFIBWDLIXCTHD-WDTXHIPTSA-N. The full InChI is InChI=1S/C27H40N6O5S.C25H26F3N5O3S.C25H27F2N5O4S.C25H34N4O4S/c1-19-17-27(5,6)33(18-19)23-20(11-10-16-29-23)24(34)32-39(36,37)22-13-9-12-21(31-22)28-14-7-8-15-30-25(35)38-26(2,3)4;1-15-12-24(2,3)33(14-15)22-19(23(34)32-37(35,36)21-6-4-5-20(29)31-21)11-17(13-30-22)16-7-9-18(10-8-16)25(26,27)28;1-14-12-25(2,3)32(13-14)23-15(24(33)31-37(34,35)21-6-5-9-29-22(21)28)7-8-19(30-23)16-10-17(26)18(27)11-20(16)36-4;1-17-10-12-19(13-11-17)33-21-8-5-9-22(27-21)34(31,32)28-24(30)20-7-6-14-26-23(20)29-16-18(2)15-25(29,3)4/h9-13,16,19H,7-8,14-15,17-18H2,1-6H3,(H,28,31)(H,30,35)(H,32,34);4-11,13,15H,12,14H2,1-3H3,(H2,29,31)(H,32,34);5-11,14H,12-13H2,1-4H3,(H2,28,29)(H,31,33);5-9,14,17-19H,10-13,15-16H2,1-4H3,(H,28,30)/t;;14-;/m..0./s1.

What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 2112.52 g/mol, XLogP of 16.36, 27 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4,5-difluoro-2-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(trifluoromethyl)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate;N-[[6-(4-methylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 159200481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).